Nanomaterials
Clay is a versatile material found in, for example, cosmetic products, paper, paint, drilling, and as a sealant for long-term storage of nuclear waste. Cement is the foundation for a large part of the building industry. A common denominator for these materials is that they consist of charged nanosized sheets or platelets.
Cellulose is a biorenewable and carbon neutral polymer with a wide range of technical applications. The main source of cellulose in Sweden is the forests and – presently – the greatest part of cellulose is used in the paper industry. There is, however, a large industrial as well as environmental interest in using cellulose fibers to replace cotton in textiles.
Aims
The project aims to get a better understanding of the microscopic properties of clay, cement and cellulose that give them their macroscopic properties to be able to predict their behaviour under different conditions and improve their performance in practical applications. The investigations include surface processes during the hydration of cement, the interactions and organization of the platelets in clay, and the sub-atomic details of cellulose and its dissolution.
Methods
The materials are studied using a combination of quantum chemical techniques and statistical mechanical methods, such as Monte Carlo simulations and molecular dynamics.
Research group
PI: Prof. Bo Jönsson
Theoretical Chemistry, Dept. of Chemistry, Lund University
Björn Persson
Theoretical Chemistry, Dept. of Chemistry, Lund University
Björn Stenqvist
Theoretical Chemistry, Dept. of Chemistry, Lund University
Axel Thuresson
Theoretical Chemistry, Dept. of Chemistry, Lund University
Magnus Ullner
Theoretical Chemistry, Dept. of Chemistry, Lund University
Valera Veryazov
Theoretical Chemistry, Dept. of Chemistry, Lund University